N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[5-(4-nitrophenyl)sulfonylthiazol-2-yl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-(5-nosylthiazol-2-yl)phthalazine-1-carboxamide Formula: C25H17N5O6S2 MolecularWeight: 547.56238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NC=C(S4)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NC=C(S4)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H17N5O6S2/c31-23(27-25-26-14-21(37-25)38(35,36)18-12-10-17(11-13-18)30(33)34)22-19-8-4-5-9-20(19)24(32)29(28-22)15-16-6-2-1-3-7-16/h1-14H,15H2,(H,26,27,31)